ChemSpider 2D Image | 4,4'-{[4-(Benzyloxy)-3-bromophenyl]methylene}bis(3-methyl-1H-pyrazol-5-ol) | C22H21BrN4O3

4,4'-{[4-(Benzyloxy)-3-bromophenyl]methylene}bis(3-methyl-1H-pyrazol-5-ol)

  • Molecular FormulaC22H21BrN4O3
  • Average mass469.331 Da
  • Monoisotopic mass468.079681 Da
  • ChemSpider ID22201802

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazol-5-ol, 4,4'-[[3-bromo-4-(phenylmethoxy)phenyl]methylene]bis[3-methyl- [ACD/Index Name]
4,4'-{[4-(Benzyloxy)-3-bromophenyl]methylene}bis(3-methyl-1H-pyrazol-5-ol) [ACD/IUPAC Name]
4,4'-{[4-(Benzyloxy)-3-bromophényl]méthylène}bis(3-méthyl-1H-pyrazol-5-ol) [French] [ACD/IUPAC Name]
4,4'-{[4-(Benzyloxy)-3-bromphenyl]methylen}bis(3-methyl-1H-pyrazol-5-ol) [German] [ACD/IUPAC Name]
4,4'-((4-(benzyloxy)-3-bromophenyl)methylene)bis(3-methyl-1H-pyrazol-5-ol)
4,4'-{[4-(benzyloxy)-3-bromophenyl]methanediyl}bis(3-methyl-1H-pyrazol-5-ol)
4-{[4-(BENZYLOXY)-3-BROMOPHENYL](3-HYDROXY-5-METHYL-2H-PYRAZOL-4-YL)METHYL}-5-METHYL-2H-PYRAZOL-3-OL
4-{[4-(benzyloxy)-3-bromophenyl](5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl}-3-methyl-1H-pyrazol-5-ol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 734.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 397.9±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 581.70
ACD/KOC (pH 5.5): 2970.07
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 335.88
ACD/KOC (pH 7.4): 1714.92
Polar Surface Area: 107 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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